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CHEBI:15531 - malonyl-CoA
| Formula | C24H38N7O19P3S |
| Net Charge | 0 |
| Average Mass | 853.587 |
| Monoisotopic Mass | 853.11560 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O |
| InChI | InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1 |
| InChIKey | LTYOQGRJFJAKNA-DVVLENMVSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Roles: | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of mitochondrial carnitine O-palmitoyltransferase (EC 2.3.1.21). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| malonyl-CoA (CHEBI:15531) has functional parent coenzyme A (CHEBI:15346) |
| malonyl-CoA (CHEBI:15531) has role Escherichia coli metabolite (CHEBI:76971) |
| malonyl-CoA (CHEBI:15531) has role EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor (CHEBI:63158) |
| malonyl-CoA (CHEBI:15531) has role metabolite (CHEBI:25212) |
| malonyl-CoA (CHEBI:15531) has role mouse metabolite (CHEBI:75771) |
| malonyl-CoA (CHEBI:15531) is a malonyl-CoAs (CHEBI:25136) |
| malonyl-CoA (CHEBI:15531) is conjugate acid of malonyl-CoA(5−) (CHEBI:57384) |
| Incoming Relation(s) |
| malonyl-CoA(5−) (CHEBI:57384) is conjugate base of malonyl-CoA (CHEBI:15531) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| Coenzyme A, S-(hydrogen propanedioate) | ChemIDplus |
| Malonyl-CoA | KEGG COMPOUND |
| Malonyl coenzyme A | KEGG COMPOUND |
| S-(Hydrogen malonyl)coenzyme A | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C00007260 | KNApSAcK |
| C00083 | KEGG COMPOUND |
| DB04524 | DrugBank |
| LMFA07050031 | LIPID MAPS |
| Malonyl-CoA | Wikipedia |
| MALONYL-COA | MetaCyc |
| MLC | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:78309 | Reaxys |
| CAS:524-14-1 | KEGG COMPOUND |
| CAS:524-14-1 | ChemIDplus |
| Citations |
|---|